SCHEMBL20919142

SCHEMBL20919142

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.72
KMT2A Q03164 11/20 0.72
ALDH1A1 P00352 9/20 0.72
MAPT P10636 9/20 0.72
MCL1 Q07820 8/20 0.72
HPGD P15428 7/20 0.72
KDM4E B2RXH2 7/20 0.72
L3MBTL1 Q9Y468 7/20 0.72
BLM P54132 6/20 0.72
THRB P10828 6/20 0.72
PKM P14618 6/20 0.72
RECQL P46063 5/20 0.72
TDP1 Q9NUW8 5/20 0.72
NR4A1 P22736 4/20 0.72
ALOX12 P18054 3/20 0.72
BID P55957 1/20 0.72
BCL2A1 Q16548 1/20 0.72
POLB P06746 9/20 0.64
HTT P42858 3/20 0.64
APEX1 P27695 3/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30518187 1.00 MEN1 (0.72) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL13856422 0.84 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL6722302 0.82 MCL1 (0.77) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL24277667 0.80 MCL1 (1.00) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26294531 0.80 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL13856429 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL15814086 0.78 MEN1 (0.84) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL2113647 0.78 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26293058 0.78 MEN1 (0.78) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26294069 0.77 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTMCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233501-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS UNIV TEXAS (US) 2023-07-27 US claimed
US-20200253913-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-08-13 US claimed
US-20200239969-A1 METHODS AND COMPOSITIONS FOR USE OF TREX2 AS DIAGNOSTIC AND PROGNOSTIC MARKER FOR CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-30 US claimed
WO-2019079222-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-04-25 WO claimed
WO-2019079255-A1 METHODS AND COMPOSITIONS FOR USE OF TREX2 AS DIAGNOSTIC AND PROGNOSTIC MARKER FOR CANCER BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-04-25 WO claimed
US-20230233501-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS UNIV TEXAS (US) 2023-07-27 US disclosed
US-11612580-B2 Compositions for inhibiting 3′ repair exonuclease 2 and methods of screening for such compositions THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-03-28 US disclosed
US-20200253913-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-08-13 US disclosed
US-20200239969-A1 METHODS AND COMPOSITIONS FOR USE OF TREX2 AS DIAGNOSTIC AND PROGNOSTIC MARKER FOR CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-30 US disclosed
WO-2019079222-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-04-25 WO disclosed
WO-2019079255-A1 METHODS AND COMPOSITIONS FOR USE OF TREX2 AS DIAGNOSTIC AND PROGNOSTIC MARKER FOR CANCER BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-04-25 WO disclosed